| Year |
Citation |
Score |
| 2024 |
Kang M, Nuomin H, Chowdhury SN, Yuly JL, Sun K, Whitlow J, Valdiviezo J, Zhang Z, Zhang P, Beratan DN, Brown KR. Seeking a quantum advantage with trapped-ion quantum simulations of condensed-phase chemical dynamics. Nature Reviews. Chemistry. PMID 38641733 DOI: 10.1038/s41570-024-00595-1 |
0.729 |
|
| 2024 |
Mendis KC, Li X, Valdiviezo J, Banziger SD, Zhang P, Ren T, Beratan DN, Rubtsov IV. Electron transfer rate modulation with mid-IR in butadiyne-bridged donor-bridge-acceptor compounds. Physical Chemistry Chemical Physics : Pccp. PMID 38168814 DOI: 10.1039/d3cp03175f |
0.787 |
|
| 2023 |
Sun K, Fang C, Kang M, Zhang Z, Zhang P, Beratan DN, Brown KR, Kim J. Quantum Simulation of Polarized Light-Induced Electron Transfer with a Trapped-Ion Qutrit System. The Journal of Physical Chemistry Letters. 6071-6077. PMID 37358521 DOI: 10.1021/acs.jpclett.3c01166 |
0.304 |
|
| 2022 |
Chowdhury SN, Zhang P, Beratan DN. Interference between Molecular and Photon Field-Mediated Electron Transfer Coupling Pathways in Cavities. The Journal of Physical Chemistry Letters. 9822-9828. PMID 36240481 DOI: 10.1021/acs.jpclett.2c02496 |
0.337 |
|
| 2022 |
Peterson EJ, Rawson J, Beratan DN, Zhang P, Therien MJ. Regulating Singlet-Triplet Energy Gaps through Substituent-Driven Modulation of the Exchange and Coulomb Interactions. Journal of the American Chemical Society. PMID 35993849 DOI: 10.1021/jacs.2c06713 |
0.316 |
|
| 2022 |
Roy PP, Kundu S, Valdiviezo J, Bullard G, Fletcher JT, Liu R, Yang SJ, Zhang P, Beratan DN, Therien MJ, Makri N, Fleming GR. Synthetic Control of Exciton Dynamics in Bioinspired Cofacial Porphyrin Dimers. Journal of the American Chemical Society. PMID 35353523 DOI: 10.1021/jacs.1c12889 |
0.801 |
|
| 2021 |
Valdiviezo J, Zhang P, Beratan DN. Electron ratcheting in self-assembled soft matter. The Journal of Chemical Physics. 155: 055102. PMID 34364335 DOI: 10.1063/5.0044420 |
0.785 |
|
| 2021 |
Ru X, Crane BR, Zhang P, Beratan DN. Why Do Most Aromatics Fail to Support Hole Hopping in the Cytochrome Peroxidase-Cytochrome Complex? The Journal of Physical Chemistry. B. PMID 34235935 DOI: 10.1021/acs.jpcb.1c05064 |
0.366 |
|
| 2021 |
Valdiviezo J, Clever C, Beall E, Pearse A, Bae Y, Zhang P, Achim C, Beratan DN, Waldeck DH. Delocalization-Assisted Transport through Nucleic Acids in Molecular Junctions. Biochemistry. PMID 33870693 DOI: 10.1021/acs.biochem.1c00072 |
0.804 |
|
| 2021 |
Bancroft L, Zhang J, Harvey SM, Krzyaniak MD, Zhang P, Schaller RD, Beratan DN, Young RM, Wasielewski MR. Charge Transfer and Spin Dynamics in a Zinc Porphyrin Donor Covalently Linked to One or Two Naphthalenediimide Acceptors. The Journal of Physical Chemistry. A. PMID 33449684 DOI: 10.1021/acs.jpca.0c10471 |
0.314 |
|
| 2020 |
Teo RD, Migliore A, Beratan DN. Mutation effects on charge transport through the p58c iron-sulfur protein. Chemical Science. 11: 7076-7085. PMID 33250976 DOI: 10.1039/D0Sc02245D |
0.368 |
|
| 2020 |
Yuly JL, Zhang P, Lubner CE, Peters JW, Beratan DN. Universal free-energy landscape produces efficient and reversible electron bifurcation. Proceedings of the National Academy of Sciences of the United States of America. PMID 32801212 DOI: 10.1073/Pnas.2010815117 |
0.378 |
|
| 2020 |
Zheng L, Migliore A, Beratan DN. Electrostatic Field-Induced Oscillator Strength Focusing in Molecules. The Journal of Physical Chemistry. B. PMID 32600048 DOI: 10.1021/Acs.Jpcb.0C04783 |
0.328 |
|
| 2020 |
Li X, Valdiviezo J, Banziger SD, Zhang P, Ren T, Beratan DN, Rubtsov IV. Symmetry controlled photo-selection and charge separation in butadiyne-bridged donor-bridge-acceptor compounds. Physical Chemistry Chemical Physics : Pccp. PMID 32329504 DOI: 10.1039/D0Cp01235A |
0.798 |
|
| 2020 |
Tong J, Zhang P, Zhang L, Zhang D, Beratan DN, Song H, Wang Y, Li T. A Robust Bioderived Wavelength-Specific Photosensor Based on BLUF Proteins. Sensors and Actuators. B, Chemical. 310. PMID 32296265 DOI: 10.1016/J.Snb.2020.127838 |
0.392 |
|
| 2020 |
Jin Y, Ru X, Su NQ, Mei Y, Beratan DN, Zhang P, Yang W. Revisiting the Hole Size in Double Helical DNA with Localized Orbital Scaling Corrections. The Journal of Physical Chemistry. B. PMID 32272019 DOI: 10.1021/Acs.Jpcb.0C03112 |
0.43 |
|
| 2020 |
Bai S, Zhang P, Beratan DN. Predicting Dexter Energy Transfer Interactions from Molecular Orbital Overlaps Journal of Physical Chemistry C. 124: 18956-18960. DOI: 10.1021/Acs.Jpcc.0C06694 |
0.313 |
|
| 2019 |
Kang YK, Zhang P, Rubtsov IV, Zheng J, Bullard G, Beratan DN, Therien MJ. Orientational Dependence of Cofacial Porphyrin-Quinone Electronic Interactions within the Strong Coupling Regime. The Journal of Physical Chemistry. B. PMID 31710233 DOI: 10.1021/Acs.Jpcb.9B07627 |
0.69 |
|
| 2019 |
Banziger SD, Li X, Valdiviezo J, Zeller M, Zhang P, Beratan DN, Rubtsov IV, Ren T. Unsymmetrical Bis-Alkynyl Complexes Based on Co(III)(cyclam): Synthesis, Ultrafast Charge Separation, and Analysis. Inorganic Chemistry. PMID 31697481 DOI: 10.1021/Acs.Inorgchem.9B02557 |
0.797 |
|
| 2019 |
Yuly JL, Lubner CE, Zhang P, Beratan DN, Peters JW. Electron bifurcation: progress and grand challenges. Chemical Communications (Cambridge, England). PMID 31515543 DOI: 10.1039/C9Cc05611D |
0.408 |
|
| 2019 |
Teo RD, Wang R, Smithwick ER, Migliore A, Therien MJ, Beratan DN. Mapping hole hopping escape routes in proteins. Proceedings of the National Academy of Sciences of the United States of America. PMID 31341081 DOI: 10.1073/Pnas.1906394116 |
0.403 |
|
| 2019 |
Ashfold M, Bender J, Beratan DN, Bradforth S, Cina J, Datta A, Dawlaty J, Dill R, Dodin A, Duchi M, Estergreen L, Fleming G, Frankcombe T, Gate G, Gessner O, et al. Photo-induced electron transfer: general discussion. Faraday Discussions. PMID 31259976 DOI: 10.1039/C9Fd90029B |
0.423 |
|
| 2019 |
Polizzi NF, Jiang T, Beratan DN, Therien MJ. Engineering opposite electronic polarization of singlet and triplet states increases the yield of high-energy photoproducts. Proceedings of the National Academy of Sciences of the United States of America. PMID 31182609 DOI: 10.1073/Pnas.1901752116 |
0.384 |
|
| 2019 |
Ru X, Zhang P, Beratan DN. Assessing Possible Mechanisms of Micrometer Scale Electron Transfer in Heme Free Geobacter Sulfurreducens Pili. The Journal of Physical Chemistry. B. PMID 31095388 DOI: 10.1021/Acs.Jpcb.9B01086 |
0.463 |
|
| 2019 |
Bai S, Zhang P, Antoniou P, Skourtis SS, Beratan DN. Quantum interferences among Dexter energy transfer pathways. Faraday Discussions. PMID 31066438 DOI: 10.1039/C9Fd00007K |
0.427 |
|
| 2019 |
Michaeli K, Beratan DN, Waldeck DH, Naaman R. Voltage-induced long-range coherent electron transfer through organic molecules. Proceedings of the National Academy of Sciences of the United States of America. PMID 30846547 DOI: 10.1073/Pnas.1816956116 |
0.51 |
|
| 2019 |
Beratan DN. Why Are DNA and Protein Electron Transfer So Different? Annual Review of Physical Chemistry. PMID 30726186 DOI: 10.1146/Annurev-Physchem-042018-052353 |
0.442 |
|
| 2019 |
Teo RD, Rousseau BJG, Smithwick ER, Di Felice R, Beratan DN, Migliore A. Charge Transfer between [4Fe4S] Proteins and DNA Is Unidirectional: Implications for Biomolecular Signaling. Chem. 5: 122-137. PMID 30714018 DOI: 10.1016/J.Chempr.2018.09.026 |
0.385 |
|
| 2019 |
Beratan DN, Waldeck DH. DNA charge transfer: Hot holes break the speed limit. Nature Chemistry. 8: 992-993. PMID 27768105 DOI: 10.1038/Nchem.2655 |
0.477 |
|
| 2018 |
Teo RD, Smithwick ER, Migliore A, Beratan DN. A single AT-GC exchange can modulate charge transfer-induced p53-DNA dissociation. Chemical Communications (Cambridge, England). PMID 30520908 DOI: 10.1039/C8Cc09048C |
0.407 |
|
| 2018 |
Skourtis SS, Beratan DN. Editorial overview: Biological pathways for electrons, protons and photo-excitations. Current Opinion in Chemical Biology. PMID 30318402 DOI: 10.1016/J.Cbpa.2018.09.023 |
0.405 |
|
| 2018 |
Ma Z, Lin Z, Lawrence CM, Rubtsov IV, Antoniou P, Skourtis SS, Zhang P, Beratan DN. How can infra-red excitation both accelerate and slow charge transfer in the same molecule? Chemical Science. 9: 6395-6405. PMID 30310568 DOI: 10.1039/C8Sc00092A |
0.413 |
|
| 2018 |
Bloom BP, Liu R, Zhang P, Ghosh S, Naaman R, Beratan DN, Waldeck DH. Directing Charge Transfer in Quantum Dot Assemblies. Accounts of Chemical Research. PMID 30289241 DOI: 10.1021/Acs.Accounts.8B00355 |
0.48 |
|
| 2018 |
Seefeldt LC, Peters JW, Beratan DN, Bothner B, Minteer SD, Raugei S, Hoffman BM. Control of electron transfer in nitrogenase. Current Opinion in Chemical Biology. 47: 54-59. PMID 30205289 DOI: 10.1016/J.Cbpa.2018.08.011 |
0.391 |
|
| 2018 |
Teo RD, Terai K, Migliore A, Beratan DN. Electron transfer characteristics of 2'-deoxy-2'-fluoro-arabinonucleic acid, a nucleic acid with enhanced chemical stability. Physical Chemistry Chemical Physics : Pccp. PMID 30191207 DOI: 10.1039/C8Cp04816A |
0.429 |
|
| 2018 |
Seefeldt LC, Hoffman BM, Peters JW, Raugei S, Beratan DN, Antony E, Dean DR. Energy Transduction in Nitrogenase. Accounts of Chemical Research. PMID 30095253 DOI: 10.1021/Acs.Accounts.8B00112 |
0.433 |
|
| 2018 |
Peters JW, Beratan DN, Bothner B, Dyer RB, Harwood CS, Heiden ZM, Hille R, Jones AK, King PW, Lu Y, Lubner CE, Minteer SD, Mulder DW, Raugei S, Schut GJ, et al. A new era for electron bifurcation. Current Opinion in Chemical Biology. 47: 32-38. PMID 30077080 DOI: 10.1016/J.Cbpa.2018.07.026 |
0.374 |
|
| 2018 |
Ma Z, Antoniou P, Zhang P, Skourtis S, Beratan DN. A Non-Equilibrium Molecular Dynamics Study of Infra-red Perturbed Electron Transfer. Journal of Chemical Theory and Computation. PMID 30005159 DOI: 10.1021/Acs.Jctc.8B00001 |
0.474 |
|
| 2018 |
Peters JW, Beratan DN, Schut GJ, Adams MWW. On the nature of organic and inorganic centers that bifurcate electrons, coupling exergonic and endergonic oxidation-reduction reactions. Chemical Communications (Cambridge, England). PMID 29624194 DOI: 10.1039/C8Cc01530A |
0.422 |
|
| 2018 |
Sha R, Xiang L, Liu C, Balaeff A, Zhang Y, Zhang P, Li Y, Beratan DN, Tao N, Seeman NC. Charge splitters and charge transport junctions based on guanine quadruplexes. Nature Nanotechnology. PMID 29483600 DOI: 10.1038/S41565-018-0070-X |
0.748 |
|
| 2018 |
Rousseau BJG, Shafei S, Migliore A, Stanley RJ, Beratan DN. Determinants of Photolyase's DNA Repair Mechanism in Mesophiles and Extremophiles. Journal of the American Chemical Society. PMID 29401372 DOI: 10.1021/Jacs.7B11926 |
0.404 |
|
| 2017 |
Bai Y, Rawson J, Roget SA, Olivier JH, Lin J, Zhang P, Beratan DN, Therien MJ. Controlling the excited-state dynamics of low band gap, near-infrared absorbers via proquinoidal unit electronic structural modulation. Chemical Science. 8: 5889-5901. PMID 28989620 DOI: 10.1039/C7Sc02150J |
0.345 |
|
| 2017 |
Zhang P, Yuly JL, Lubner CE, Mulder DW, King PW, Peters JW, Beratan DN. Electron Bifurcation: Thermodynamics and Kinetics of Two-Electron Brokering in Biological Redox Chemistry. Accounts of Chemical Research. PMID 28876046 DOI: 10.1021/Acs.Accounts.7B00327 |
0.455 |
|
| 2017 |
Bloom BP, Graff BM, Ghosh S, Beratan DN, Waldeck DH. Chirality Control of Electron Transfer in Quantum Dot Assemblies. Journal of the American Chemical Society. PMID 28609095 DOI: 10.1021/Jacs.7B04639 |
0.419 |
|
| 2017 |
Beall E, Ulku S, Liu C, Wierzbinski E, Zhang Y, Bae Y, Zhang P, Achim C, Beratan DN, Waldeck DH. Effects of the Backbone and Chemical Linker on the Molecular Conductance of Nucleic Acid Duplexes. Journal of the American Chemical Society. PMID 28434220 DOI: 10.1021/Jacs.7B02260 |
0.589 |
|
| 2017 |
Liu R, Bloom BP, Waldeck DH, Zhang P, Beratan DN. Controlling the Electron-Transfer Kinetics of Quantum-Dot Assemblies The Journal of Physical Chemistry C. 121: 14401-14412. DOI: 10.1021/Acs.Jpcc.7B02261 |
0.464 |
|
| 2017 |
Beratan DN, Naaman R, Waldeck DH. Charge and spin transport through nucleic acids Current Opinion in Electrochemistry. 4: 175-181. DOI: 10.1016/J.Coelec.2017.08.017 |
0.343 |
|
| 2016 |
Nayak A, Park J, De Mey K, Hu X, Duncan TV, Beratan DN, Clays K, Therien MJ. Large Hyperpolarizabilities at Telecommunication-Relevant Wavelengths in Donor-Acceptor-Donor Nonlinear Optical Chromophores. Acs Central Science. 2: 954-966. PMID 28058285 DOI: 10.1021/Acscentsci.6B00291 |
0.358 |
|
| 2016 |
Liu C, Xiang L, Zhang Y, Zhang P, Beratan DN, Li Y, Tao N. Engineering nanometre-scale coherence in soft matter. Nature Chemistry. 8: 941-945. PMID 27657870 DOI: 10.1038/Nchem.2545 |
0.396 |
|
| 2016 |
Skourtis SS, Liu C, Antoniou P, Virshup AM, Beratan DN. Dexter energy transfer pathways. Proceedings of the National Academy of Sciences of the United States of America. PMID 27382185 DOI: 10.1073/Pnas.1517189113 |
0.441 |
|
| 2016 |
Liu C, Beratan DN, Zhang P. A Coarse-grained Theory of Biological Charge Transfer with Spatially and Temporally Correlated Noise. The Journal of Physical Chemistry. B. PMID 27008541 DOI: 10.1021/Acs.Jpcb.6B01018 |
0.398 |
|
| 2016 |
Zheng L, Polizzi NF, Dave A, Migliore A, Beratan DN. Where Is the Electronic Oscillator Strength? Mapping Oscillator Strength Across Molecular Absorption Spectra. The Journal of Physical Chemistry. A. PMID 26950828 DOI: 10.1021/Acs.Jpca.6B00692 |
0.389 |
|
| 2016 |
Polizzi NF, Eibling MJ, Perez-Aguilar JM, Rawson J, Lanci CJ, Fry HC, Beratan DN, Saven JG, Therien MJ. Photoinduced Electron Transfer Elicits a Change in the Static Dielectric Constant of a de Novo Designed Protein. Journal of the American Chemical Society. PMID 26840013 DOI: 10.1021/Jacs.5B13180 |
0.372 |
|
| 2016 |
Yue Y, Grusenmeyer T, Ma Z, Zhang P, Schmehl RH, Beratan DN, Rubtsov IV. Correction to Full Electron Ligand-to-Ligand Charge Transfer in a Compact Rhenium(I) Complex. The Journal of Physical Chemistry. A. PMID 26760901 DOI: 10.1021/Acs.Jpca.6B00093 |
0.388 |
|
| 2015 |
Yue Y, Grusenmeyer T, Ma Z, Zhang P, Schmehl RH, Beratan DN, Rubtsov IV. Correction: Electron transfer rate modulation in a compact Re(i) donor-acceptor complex. Dalton Transactions (Cambridge, England : 2003). PMID 26661995 DOI: 10.1039/C5Dt90221E |
0.414 |
|
| 2015 |
Polizzi NF, Migliore A, Therien MJ, Beratan DN. Defusing redox bombs? Proceedings of the National Academy of Sciences of the United States of America. 112: 10821-2. PMID 26290579 DOI: 10.1073/Pnas.1513520112 |
0.344 |
|
| 2015 |
Zhang Y, Young RM, Thazhathveetil AK, Singh AP, Liu C, Berlin YA, Grozema FC, Lewis FD, Ratner MA, Renaud N, Siriwong K, Voityuk AA, Wasielewski MR, Beratan DN. Conformationally Gated Charge Transfer in DNA Three-Way Junctions. The Journal of Physical Chemistry Letters. 6: 2434-8. PMID 26266714 DOI: 10.1021/Acs.Jpclett.5B00863 |
0.413 |
|
| 2015 |
Migliore A, Naaman R, Beratan DN. Sensing of molecules using quantum dynamics. Proceedings of the National Academy of Sciences of the United States of America. 112: E2419-28. PMID 25911636 DOI: 10.1073/Pnas.1502000112 |
0.358 |
|
| 2015 |
Antoniou P, Ma Z, Zhang P, Beratan DN, Skourtis SS. Vibrational control of electron-transfer reactions: a feasibility study for the fast coherent transfer regime. Physical Chemistry Chemical Physics : Pccp. PMID 25909507 DOI: 10.1039/C5Cp00610D |
0.474 |
|
| 2015 |
Young RM, Singh AP, Thazhathveetil AK, Cho VY, Zhang Y, Renaud N, Grozema FC, Beratan DN, Ratner MA, Schatz GC, Berlin YA, Lewis FD, Wasielewski MR. Charge Transport across DNA-Based Three-Way Junctions. Journal of the American Chemical Society. 137: 5113-22. PMID 25822073 DOI: 10.1021/Jacs.5B00931 |
0.436 |
|
| 2015 |
Yue Y, Grusenmeyer T, Ma Z, Zhang P, Schmehl RH, Beratan DN, Rubtsov IV. Electron transfer rate modulation in a compact Re(I) donor-acceptor complex. Dalton Transactions (Cambridge, England : 2003). 44: 8609-16. PMID 25600849 DOI: 10.1039/C4Dt02145B |
0.437 |
|
| 2015 |
Lin J, Balamurugan D, Zhang P, Skourtis SS, Beratan DN. Two-Electron Transfer Pathways. The Journal of Physical Chemistry. B. 119: 7589-97. PMID 25583181 DOI: 10.1021/Jp511429Z |
0.586 |
|
| 2015 |
Beratan DN, Liu C, Migliore A, Polizzi NF, Skourtis SS, Zhang P, Zhang Y. Charge transfer in dynamical biosystems, or the treachery of (static) images. Accounts of Chemical Research. 48: 474-81. PMID 25307316 DOI: 10.1021/Ar500271D |
0.445 |
|
| 2015 |
Zhang Y, Zhang WB, Liu C, Zhang P, Balaeff A, Beratan DN. DNA charge transport: Moving beyond 1D Surface Science. DOI: 10.1016/J.Susc.2016.03.011 |
0.754 |
|
| 2014 |
Venkatramani R, Wierzbinski E, Waldeck DH, Beratan DN. Breaking the simple proportionality between molecular conductances and charge transfer rates. Faraday Discussions. 174: 57-78. PMID 25277465 DOI: 10.1039/C4Fd00106K |
0.69 |
|
| 2014 |
Zhang Y, Liu C, Balaeff A, Skourtis SS, Beratan DN. Biological charge transfer via flickering resonance. Proceedings of the National Academy of Sciences of the United States of America. 111: 10049-54. PMID 24965367 DOI: 10.1073/Pnas.1316519111 |
0.799 |
|
| 2014 |
Yue Y, Grusenmeyer T, Ma Z, Zhang P, Schmehl RH, Beratan DN, Rubtsov IV. Full-electron ligand-to-ligand charge transfer in a compact Re(I) complex. The Journal of Physical Chemistry. A. 118: 10407-15. PMID 24956928 DOI: 10.1021/Jp5039877 |
0.441 |
|
| 2014 |
Migliore A, Polizzi NF, Therien MJ, Beratan DN. Biochemistry and theory of proton-coupled electron transfer. Chemical Reviews. 114: 3381-465. PMID 24684625 DOI: 10.1021/Cr4006654 |
0.416 |
|
| 2014 |
Kuznetsov AE, Beratan DN. Structural and electronic properties of bare and capped Cd 33Se33 and Cd33Te33 quantum dots Journal of Physical Chemistry C. 118: 7094-7109. DOI: 10.1021/Jp4007747 |
0.344 |
|
| 2014 |
Beratan DN. Exponential Distance Decay of Electron Transfer Rates without Tunneling: A Flickering Resonance Model for Transport Biophysical Journal. 106: 588a. DOI: 10.1016/J.Bpj.2013.11.3260 |
0.506 |
|
| 2014 |
Migliore A, Beratan DN. Cu-To-Cu Electron Tunneling in Copper Monooxygenases Biophysical Journal. 106: 588a. DOI: 10.1016/J.Bpj.2013.11.3259 |
0.386 |
|
| 2013 |
Yue Y, Grusenmeyer T, Ma Z, Zhang P, Pham TT, Mague JT, Donahue JP, Schmehl RH, Beratan DN, Rubtsov IV. Evaluating the extent of intramolecular charge transfer in the excited states of rhenium(I) donor-acceptor complexes with time-resolved vibrational spectroscopy. The Journal of Physical Chemistry. B. 117: 15903-16. PMID 24117405 DOI: 10.1021/Jp409628E |
0.414 |
|
| 2013 |
Jiang N, Kuznetsov A, Nocek JM, Hoffman BM, Crane BR, Hu X, Beratan DN. Distance-independent charge recombination kinetics in cytochrome c-cytochrome c peroxidase complexes: compensating changes in the electronic coupling and reorganization energies. The Journal of Physical Chemistry. B. 117: 9129-41. PMID 23895339 DOI: 10.1021/Jp401551T |
0.485 |
|
| 2013 |
Wierzbinski E, Venkatramani R, Davis KL, Bezer S, Kong J, Xing Y, Borguet E, Achim C, Beratan DN, Waldeck DH. The single-molecule conductance and electrochemical electron-transfer rate are related by a power law. Acs Nano. 7: 5391-401. PMID 23692478 DOI: 10.1021/Nn401321K |
0.771 |
|
| 2013 |
Wang Y, King JR, Wu P, Pelzman DL, Beratan DN, Toone EJ. Enthalpic signature of methonium desolvation revealed in a synthetic host-guest system based on cucurbit[7]uril. Journal of the American Chemical Society. 135: 6084-91. PMID 23510488 DOI: 10.1021/Ja311327V |
0.384 |
|
| 2013 |
Lin J, Hu X, Zhang P, Van Rynbach A, Beratan DN, Kent CA, Mehl BP, Papanikolas JM, Meyer TJ, Lin W, Skourtis SS, Constantinou M. Triplet excitation energy dynamics in metal-organic frameworks Journal of Physical Chemistry C. 117: 22250-22259. DOI: 10.1021/Jp401515R |
0.37 |
|
| 2013 |
Wang Y, King JR, Wu P, Pelzman DL, Beratan DN, Toone EJ. Correction to “Enthalpic Signature of Methonium Desolvation Revealed in a Synthetic Host–Guest System Based on Cucurbit[7]uril” Journal of the American Chemical Society. 135: 17650-17650. DOI: 10.1021/Ja408346J |
0.319 |
|
| 2012 |
De Vleeschouwer F, Yang W, Beratan DN, Geerlings P, De Proft F. Inverse design of molecules with optimal reactivity properties: acidity of 2-naphthol derivatives. Physical Chemistry Chemical Physics : Pccp. 14: 16002-13. PMID 23089917 DOI: 10.1039/C2Cp42623D |
0.347 |
|
| 2012 |
Beratan DN, Onuchic JN. Redox redux. Physical Chemistry Chemical Physics : Pccp. 14: 13728. PMID 22960628 DOI: 10.1039/c2cp90148j |
0.433 |
|
| 2012 |
Keinan S, Nocek JM, Hoffman BM, Beratan DN. Interfacial hydration, dynamics and electron transfer: multi-scale ET modeling of the transient [myoglobin, cytochrome b5] complex. Physical Chemistry Chemical Physics : Pccp. 14: 13881-9. PMID 22955681 DOI: 10.1039/C2Cp41949A |
0.428 |
|
| 2012 |
Wierzbinski E, de Leon A, Yin X, Balaeff A, Davis KL, Rapireddy S, Reppireddy S, Venkatramani R, Keinan S, Ly DH, Madrid M, Beratan DN, Achim C, Waldeck DH. Effect of backbone flexibility on charge transfer rates in peptide nucleic acid duplexes. Journal of the American Chemical Society. 134: 9335-42. PMID 22548314 DOI: 10.1021/Ja301677Z |
0.801 |
|
| 2012 |
Polizzi NF, Skourtis SS, Beratan DN. Physical constraints on charge transport through bacterial nanowires. Faraday Discussions. 155: 43-62; discussion 10. PMID 22470966 DOI: 10.1039/C1Fd00098E |
0.452 |
|
| 2012 |
Balabin IA, Hu X, Beratan DN. Exploring biological electron transfer pathway dynamics with the Pathways plugin for VMD. Journal of Computational Chemistry. 33: 906-10. PMID 22298319 DOI: 10.1002/Jcc.22927 |
0.33 |
|
| 2012 |
Jiang N, Zuber G, Keinan S, Nayak A, Yang W, Therien MJ, Beratan DN. Design of coupled porphyrin chromophores with unusually large hyperpolarizabilities Journal of Physical Chemistry C. 116: 9724-9733. DOI: 10.1021/Jp2115065 |
0.401 |
|
| 2012 |
Wierzbinski E, de Leon A, Yin X, Balaeff A, Davis KL, Rapireddy S, Venkatramani R, Keinan S, Ly DH, Madrid M, Beratan DN, Achim C, Waldeck DH. Correction to Effect of Backbone Flexibility on Charge Transfer Rates in Peptide Nucleic Acid Duplexes Journal of the American Chemical Society. 134: 13141-13141. DOI: 10.1021/Ja306598Z |
0.792 |
|
| 2011 |
Skourtis SS, Beratan DN, Waldeck DH. Coherence in electron transfer pathways. Procedia Chemistry. 3: 99-104. PMID 23833692 DOI: 10.1016/J.Proche.2011.08.016 |
0.472 |
|
| 2011 |
Balaeff A, Craig SL, Beratan DN. B-DNA to zip-DNA: simulating a DNA transition to a novel structure with enhanced charge-transport characteristics. The Journal of Physical Chemistry. A. 115: 9377-91. PMID 21598926 DOI: 10.1021/Jp110871G |
0.728 |
|
| 2011 |
Susumu K, Fisher JA, Zheng J, Beratan DN, Yodh AG, Therien MJ. Two-photon absorption properties of proquinoidal D-A-D and A-D-A quadrupolar chromophores. The Journal of Physical Chemistry. A. 115: 5525-39. PMID 21568299 DOI: 10.1021/Jp2000738 |
0.644 |
|
| 2011 |
Venkatramani R, Keinan S, Balaeff A, Beratan DN. Nucleic Acid Charge Transfer: Black, White and Gray. Coordination Chemistry Reviews. 255: 635-648. PMID 21528017 DOI: 10.1016/J.Ccr.2010.12.010 |
0.819 |
|
| 2011 |
Contreras-García J, Johnson ER, Keinan S, Chaudret R, Piquemal JP, Beratan DN, Yang W. NCIPLOT: a program for plotting non-covalent interaction regions. Journal of Chemical Theory and Computation. 7: 625-632. PMID 21516178 DOI: 10.1021/Ct100641A |
0.324 |
|
| 2011 |
Carias H, Beratan DN, Skourtis SS. Floquet analysis for vibronically modulated electron tunneling. The Journal of Physical Chemistry. B. 115: 5510-8. PMID 21476504 DOI: 10.1021/Jp111097A |
0.385 |
|
| 2011 |
Ben-Moshe V, Beratan DN, Nitzan A, Skourtis SS. Chiral control of current transfer in molecules. Topics in Current Chemistry. 298: 259-78. PMID 21321805 DOI: 10.1007/128_2010_101 |
0.592 |
|
| 2011 |
Venkatramani R, Davis KL, Wierzbinski E, Bezer S, Balaeff A, Keinan S, Paul A, Kocsis L, Beratan DN, Achim C, Waldeck DH. Evidence for a near-resonant charge transfer mechanism for double-stranded peptide nucleic acid. Journal of the American Chemical Society. 133: 62-72. PMID 21141966 DOI: 10.1021/Ja107622M |
0.808 |
|
| 2011 |
Wolak MA, Balaeff A, Gutmann S, Helmrich HJ, Vosloo R, Beerbom MM, Wierzbinski E, Waldeck DH, Bezer S, Achim C, Beratan DN, Schlaf R. Electronic structure of self-assembled peptide nucleic acid thin films Journal of Physical Chemistry C. 115: 17123-17135. DOI: 10.1021/Jp201602J |
0.804 |
|
| 2010 |
Xing Y, Park TH, Venkatramani R, Keinan S, Beratan DN, Therien MJ, Borguet E. Optimizing single-molecule conductivity of conjugated organic oligomers with carbodithioate linkers. Journal of the American Chemical Society. 132: 7946-56. PMID 20433175 DOI: 10.1021/Ja909559M |
0.68 |
|
| 2010 |
Skourtis SS, Waldeck DH, Beratan DN. Fluctuations in biological and bioinspired electron-transfer reactions. Annual Review of Physical Chemistry. 61: 461-85. PMID 20192814 DOI: 10.1146/Annurev.Physchem.012809.103436 |
0.474 |
|
| 2010 |
Hu X, Xiao D, Keinan S, Asselberghs I, Therien MJ, Clays K, Yang W, Beratan DN. Predicting the frequency dispersion of electronic hyperpolarizabilities on the basis of absorption data and thomas-kuhn sum rules Journal of Physical Chemistry C. 114: 2349-2359. DOI: 10.1021/Jp911556X |
0.541 |
|
| 2010 |
Keinan S, Venkatramani R, Balaeff A, Beratan DN. Is MD geometry sampling sufficient for nucleobase electronic structure analysis of et reactions? Comparing classical MD and QM/MM methods Journal of Physical Chemistry C. 114: 20496-20502. DOI: 10.1021/Jp104919G |
0.831 |
|
| 2010 |
Ben-Moshe V, Nitzan A, Skourtis SS, Beratan DN. Steady-state theory of current transfer Journal of Physical Chemistry C. 114: 8005-8013. DOI: 10.1021/Jp100661F |
0.577 |
|
| 2009 |
Rinderspacher BC, Andzelm J, Rawlett A, Dougherty J, Beratan DN, Yang W. Discrete Optimization of Electronic Hyperpolarizabilities in a Chemical Subspace. Journal of Chemical Theory and Computation. 5: 3321-9. PMID 26602512 DOI: 10.1021/Ct900325P |
0.327 |
|
| 2009 |
Lin Z, Lawrence CM, Xiao D, Kireev VV, Skourtis SS, Sessler JL, Beratan DN, Rubtsov IV. Modulating unimolecular charge transfer by exciting bridge vibrations. Journal of the American Chemical Society. 131: 18060-2. PMID 19928957 DOI: 10.1021/Ja907041T |
0.583 |
|
| 2009 |
Beratan DN, Skourtis SS, Balabin IA, Balaeff A, Keinan S, Venkatramani R, Xiao D. Steering electrons on moving pathways. Accounts of Chemical Research. 42: 1669-78. PMID 19645446 DOI: 10.1021/Ar900123T |
0.82 |
|
| 2009 |
Xiao D, Skourtis SS, Rubtsov IV, Beratan DN. Turning charge transfer on and off in a molecular interferometer with vibronic pathways. Nano Letters. 9: 1818-23. PMID 19435376 DOI: 10.1021/Nl8037695 |
0.63 |
|
| 2009 |
Paul A, Bezer S, Venkatramani R, Kocsis L, Wierzbinski E, Balaeff A, Keinan S, Beratan DN, Achim C, Waldeck DH. Role of nucleobase energetics and nucleobase interactions in single-stranded peptide nucleic acid charge transfer. Journal of the American Chemical Society. 131: 6498-507. PMID 19382798 DOI: 10.1021/Ja9000163 |
0.814 |
|
| 2009 |
Mukhopadhyay P, Wipf P, Beratan DN. Optical signatures of molecular dissymmetry: combining theory with experiments to address stereochemical puzzles. Accounts of Chemical Research. 42: 809-19. PMID 19378940 DOI: 10.1021/Ar8002859 |
0.589 |
|
| 2009 |
Venkatramani R, Zang DY, Oh C, Grote J, Beratan D. Photoconductivity and current-voltage characteristics of thin DNA films: Experiments and modeling Proceedings of Spie - the International Society For Optical Engineering. 7403. DOI: 10.1117/12.831024 |
0.589 |
|
| 2009 |
Mukhopadhyay P, Wipf P, Beratan DN. ChemInform Abstract: Optical Signatures of Molecular Dissymmetry: Combining Theory with Experiments to Address Stereochemical Puzzles Cheminform. 40. DOI: 10.1002/chin.200937276 |
0.445 |
|
| 2008 |
Skourtis SS, Beratan DN, Naaman R, Nitzan A, Waldeck DH. Chiral control of electron transmission through molecules. Physical Review Letters. 101: 238103. PMID 19113598 DOI: 10.1103/Physrevlett.101.238103 |
0.614 |
|
| 2008 |
Balabin IA, Beratan DN, Skourtis SS. Persistence of structure over fluctuations in biological electron-transfer reactions. Physical Review Letters. 101: 158102. PMID 18999647 DOI: 10.1103/Physrevlett.101.158102 |
0.472 |
|
| 2008 |
Mukhopadhyay P, Zuber G, Beratan DN. Characterizing aqueous solution conformations of a peptide backbone using Raman optical activity computations. Biophysical Journal. 95: 5574-86. PMID 18805935 DOI: 10.1529/Biophysj.108.137596 |
0.51 |
|
| 2008 |
He W, Hatcher E, Balaeff A, Beratan DN, Gil RR, Madrid M, Achim C. Solution structure of a peptide nucleic acid duplex from NMR data: features and limitations. Journal of the American Chemical Society. 130: 13264-73. PMID 18781753 DOI: 10.1021/Ja800652H |
0.772 |
|
| 2008 |
Hu X, Beratan DN, Yang W. A gradient-directed Monte Carlo approach to molecular design. The Journal of Chemical Physics. 129: 064102. PMID 18715046 DOI: 10.1063/1.2958255 |
0.316 |
|
| 2008 |
Xiao D, Bulat FA, Yang W, Beratan DN. A donor-nanotube paradigm for nonlinear optical materials. Nano Letters. 8: 2814-8. PMID 18698728 DOI: 10.1021/Nl801388Z |
0.52 |
|
| 2008 |
Hatcher E, Balaeff A, Keinan S, Venkatramani R, Beratan DN. PNA versus DNA: effects of structural fluctuations on electronic structure and hole-transport mechanisms. Journal of the American Chemical Society. 130: 11752-61. PMID 18693722 DOI: 10.1021/Ja802541E |
0.835 |
|
| 2008 |
Xiao D, Yang W, Beratan DN. Inverse molecular design in a tight-binding framework. The Journal of Chemical Physics. 129: 044106. PMID 18681633 DOI: 10.1063/1.2955756 |
0.518 |
|
| 2008 |
Beratan DN, Balabin IA. Heme-copper oxidases use tunneling pathways. Proceedings of the National Academy of Sciences of the United States of America. 105: 403-4. PMID 18180451 DOI: 10.1073/Pnas.0711343105 |
0.474 |
|
| 2007 |
Skourtis SS, Prytkova T, Beratan DN. Flavin Charge Transfer Transitions Assist DNA Photolyase Electron Transfer. Aip Conference Proceedings. 963: 674-677. PMID 23226907 DOI: 10.1063/1.2836174 |
0.391 |
|
| 2007 |
Mukhopadhyay P, Zuber G, Wipf P, Beratan DN. Contribution of a solute's chiral solvent imprint to optical rotation. Angewandte Chemie (International Ed. in English). 46: 6450-2. PMID 17645276 DOI: 10.1002/Anie.200702273 |
0.498 |
|
| 2007 |
Skourtis SS, Beratan DN. Biochemistry. Photosynthesis from the protein's perspective. Science (New York, N.Y.). 316: 703-4. PMID 17478711 DOI: 10.1126/Science.1142330 |
0.345 |
|
| 2007 |
Zöllner A, Pasquinelli MA, Bernhardt R, Beratan DN. Protein phosphorylation and intermolecular electron transfer: a joint experimental and computational study of a hormone biosynthesis pathway. Journal of the American Chemical Society. 129: 4206-16. PMID 17358057 DOI: 10.1021/Ja064803J |
0.755 |
|
| 2007 |
Prytkova TR, Kurnikov IV, Beratan DN. Coupling coherence distinguishes structure sensitivity in protein electron transfer. Science (New York, N.Y.). 315: 622-5. PMID 17272715 DOI: 10.1126/Science.1134862 |
0.414 |
|
| 2007 |
Prytkova TR, Beratan DN, Skourtis SS. Photoselected electron transfer pathways in DNA photolyase. Proceedings of the National Academy of Sciences of the United States of America. 104: 802-7. PMID 17209014 DOI: 10.1073/Pnas.0605319104 |
0.475 |
|
| 2006 |
Mukhopadhyay P, Zuber G, Goldsmith MR, Wipf P, Beratan DN. Solvent effect on optical rotation: A case study of methyloxirane in water. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 7: 2483-6. PMID 17072929 DOI: 10.1002/Cphc.200600477 |
0.614 |
|
| 2006 |
Perry JL, Goldsmith MR, Williams TR, Radack KP, Christensen T, Gorham J, Pasquinelli MA, Toone EJ, Beratan DN, Simon JD. Binding of warfarin influences the acid-base equilibrium of H242 in sudlow site I of human serum albumin. Photochemistry and Photobiology. 82: 1365-9. PMID 16563025 DOI: 10.1562/2006-02-23-Ra-811 |
0.749 |
|
| 2006 |
Kawatsu T, Beratan DN, Kakitani T. Conformationally averaged score functions for electronic propagation in proteins. The Journal of Physical Chemistry. B. 110: 5747-57. PMID 16539520 DOI: 10.1021/Jp052194G |
0.388 |
|
| 2006 |
Wang M, Hu X, Beratan DN, Yang W. Designing molecules by optimizing potentials. Journal of the American Chemical Society. 128: 3228-32. PMID 16522103 DOI: 10.1021/Ja0572046 |
0.332 |
|
| 2006 |
Goldsmith MR, George CB, Zuber G, Naaman R, Waldeck DH, Wipf P, Beratan DN. The chiroptical signature of achiral metal clusters induced by dissymmetric adsorbates. Physical Chemistry Chemical Physics : Pccp. 8: 63-7. PMID 16482245 DOI: 10.1039/B511563A |
0.531 |
|
| 2006 |
Skourtis SS, Beratan DN. Guest editorial: Electron transfer Molecular Simulation. 32: 675-676. DOI: 10.1080/08927020600991120 |
0.445 |
|
| 2006 |
Kawatsu T, Beratan DN. Electron transfer between cofactors in protein domains linked by a flexible tether Chemical Physics. 326: 259-269. DOI: 10.1016/J.Chemphys.2006.01.020 |
0.421 |
|
| 2006 |
Skourtis SS, Lin J, Beratan DN. The effects of bridge motion on electron transfer reactions mediated by tunneling Modern Methods For Theoretical Physical Chemistry of Biopolymers. 357-382. DOI: 10.1016/B978-044452220-7/50082-4 |
0.471 |
|
| 2005 |
Lin J, Beratan DN. Simulation of electron transfer between cytochrome C2 and the bacterial photosynthetic reaction center: Brownian dynamics analysis of the native proteins and double mutants. The Journal of Physical Chemistry. B. 109: 7529-34. PMID 16851864 DOI: 10.1021/Jp045417W |
0.56 |
|
| 2005 |
Prytkova TR, Kurnikov IV, Beratan DN. Ab initio based calculations of electron-transfer rates in metalloproteins. The Journal of Physical Chemistry. B. 109: 1618-25. PMID 16851133 DOI: 10.1021/Jp0457491 |
0.469 |
|
| 2005 |
Lin J, Balabin IA, Beratan DN. The nature of aqueous tunneling pathways between electron-transfer proteins. Science (New York, N.Y.). 310: 1311-3. PMID 16311331 DOI: 10.1126/Science.1118316 |
0.573 |
|
| 2005 |
Zuber G, Goldsmith MR, Hopkins TD, Beratan DN, Wipf P. Systematic assignment of the configuration of flexible natural products by spectroscopic and computational methods: the bistramide C analysis. Organic Letters. 7: 5269-72. PMID 16268555 DOI: 10.1021/Ol052154V |
0.53 |
|
| 2005 |
Zuber G, Goldsmith MR, Beratan DN, Wipf P. Assignment of the absolute configuration of [n]-ladderanes by TD-DFT optical rotation calculations. Chirality. 17: 507-10. PMID 16121333 DOI: 10.1002/Chir.20190 |
0.528 |
|
| 2005 |
Zheng J, Kang YK, Therien MJ, Beratan DN. Generalized Mulliken-Hush analysis of electronic coupling interactions in compressed pi-stacked porphyrin-bridge-quinone systems. Journal of the American Chemical Society. 127: 11303-10. PMID 16089459 DOI: 10.1021/Ja050984Y |
0.685 |
|
| 2005 |
Zuber G, Goldsmith MR, Beratan DN, Wipf P. Towards Raman optical activity calculations of large molecules. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 6: 595-7. PMID 15881572 DOI: 10.1002/Cphc.200400544 |
0.522 |
|
| 2005 |
Skourtis SS, Balabin IA, Kawatsu T, Beratan DN. Protein dynamics and electron transfer: electronic decoherence and non-Condon effects. Proceedings of the National Academy of Sciences of the United States of America. 102: 3552-7. PMID 15738409 DOI: 10.1073/Pnas.0409047102 |
0.47 |
|
| 2005 |
Lee J, Balabin IA, Beratan DN, Lee JG, Yates JT. Charge transfer through chemisorbed organic molecules - Neutralization of ionization processes at local sites in the molecule Chemical Physics Letters. 412: 171-175. DOI: 10.1016/J.Cplett.2005.05.101 |
0.416 |
|
| 2005 |
Winkler JR, Gray HB, Prytkova TR, Kurnikov IV, Beratan DN. Electron Transfer through Proteins Bioelectronics: From Theory to Applications. 15-33. DOI: 10.1002/352760376X.ch2 |
0.31 |
|
| 2004 |
Rubtsov IV, Kang YK, Redmore NP, Allen RM, Zheng J, Beratan DN, Therien MJ. The degree of charge transfer in ground and charge-separated states revealed by ultrafast visible pump/mid-IR probe spectroscopy. Journal of the American Chemical Society. 126: 5022-3. PMID 15099057 DOI: 10.1021/Ja030674K |
0.655 |
|
| 2004 |
Liang ZX, Kurnikov IV, Nocek JM, Mauk AG, Beratan DN, Hoffman BM. Dynamic docking and electron-transfer between cytochrome b5 and a suite of myoglobin surface-charge mutants. Introduction of a functional-docking algorithm for protein-protein complexes. Journal of the American Chemical Society. 126: 2785-98. PMID 14995196 DOI: 10.1021/Ja038163L |
0.446 |
|
| 2004 |
Skourtis SS, Waldeck DH, Beratan DN. Inelastic electron tunneling erases coupling-pathway interferences Journal of Physical Chemistry B. 108: 15511-15518. DOI: 10.1021/Jp0485340 |
0.465 |
|
| 2004 |
Perry JL, Goldsmith MR, Peterson MA, Beratan DN, Wozniak G, Rüker F, Simon JD. Structure of the ochratoxin a binding site within human serum albumin Journal of Physical Chemistry B. 108: 16960-16964. DOI: 10.1021/Jp0480652 |
0.519 |
|
| 2004 |
Jianping L, Beratan DN. Tunneling while pulling: The dependence of tunneling current on end-to-end distance in a flexible molecule Journal of Physical Chemistry A. 108: 5655-5661. DOI: 10.1021/Jp0379502 |
0.355 |
|
| 2003 |
Goldsmith MR, Jayasuriya N, Beratan DN, Wipf P. Optical rotation of noncovalent aggregates. Journal of the American Chemical Society. 125: 15696-7. PMID 14677931 DOI: 10.1021/Ja0376893 |
0.516 |
|
| 2003 |
Perry JL, Christensen T, Goldsmith MR, Toone EJ, Beratan DN, Simon JD. Binding of ochratoxin a to human serum albumin stabilized by a protein-ligand ion pair Journal of Physical Chemistry B. 107: 7884-7888. |
0.44 |
|
| 2002 |
Lewis FD, Liu J, Weigel W, Rettig W, Kurnikov IV, Beratan DN. Donor-bridge-acceptor energetics determine the distance dependence of electron tunneling in DNA. Proceedings of the National Academy of Sciences of the United States of America. 99: 12536-41. PMID 12228728 DOI: 10.1073/Pnas.192432899 |
0.446 |
|
| 2002 |
Liang ZX, Nocek JM, Huang K, Hayes RT, Kurnikov IV, Beratan DN, Hoffman BM. Dynamic docking and electron transfer between Zn-myoglobin and cytochrome b(5). Journal of the American Chemical Society. 124: 6849-59. PMID 12059205 DOI: 10.1021/Ja0127032 |
0.385 |
|
| 2002 |
Tong GSM, Kurnikov IV, Beratan DN. Tunneling energy effects on GC oxidation in DNA Journal of Physical Chemistry B. 106: 2381-2392. DOI: 10.1021/Jp013387G |
0.444 |
|
| 2002 |
Jones ML, Kurnikov IV, Beratan DN. The nature of tunneling pathway and average packing density models for protein-mediated electron transfer Journal of Physical Chemistry A. 106: 2002-2006. DOI: 10.1021/Jp0133743 |
0.435 |
|
| 2002 |
Kurnikov IV, Tong GSM, Madrid M, Beratan DN. Hole size and energetics in double helical DNA: Competition between quantum delocalization and solvation localization Journal of Physical Chemistry B. 106: 7-10. DOI: 10.1021/Jp0132329 |
0.394 |
|
| 2001 |
Kurnikov IV, Charnley AK, Beratan DN. From ATP to electron transfer: Electrostatics and free-energy transduction in nitrogenase Journal of Physical Chemistry B. 105: 5359-5367. DOI: 10.1021/Jp002540O |
0.423 |
|
| 2000 |
Lee M, Shephard MJ, Risser SM, Priyadarshy S, Paddon-Row MN, Beratan DN. The nature of tunnel splitting mediated by stacked aromatics Journal of Physical Chemistry A. 104: 7593-7599. DOI: 10.1021/Jp994372+ |
0.374 |
|
| 2000 |
Babini E, Bertini I, Borsari M, Capozzi F, Luchinat C, Zhang X, Moura GLC, Kurnikov IV, Beratan DN, Ponce A, Di Bilio AJ, Winkler JR, Gray HB. Bond-mediated electron tunneling in ruthenium-modified high-potential iron-sulfur protein [13] Journal of the American Chemical Society. 122: 4532-4533. DOI: 10.1021/Ja994472T |
0.317 |
|
| 2000 |
Liang ZX, Nocek JM, Kurnikov IV, Beratan DN, Hoffman BM. Electrostatic control of electron transfer between myoglobin and cytochrome b5: Effect of methylating the heme propionates of Zn-myoglobin [16] Journal of the American Chemical Society. 122: 3552-3553. DOI: 10.1021/Ja993951P |
0.375 |
|
| 1999 |
Zusman LD, Beratan DN. Electron transfer in three-center chemical systems Journal of Chemical Physics. 110: 10468-10481. DOI: 10.1063/1.478976 |
0.454 |
|
| 1999 |
Kondru RK, Wipf P, Beratan DN. Structural and Conformational Dependence of Optical Rotation Angles The Journal of Physical Chemistry A. 103: 6603-6611. DOI: 10.1021/Jp990697E |
0.316 |
|
| 1998 |
Zusman LD, Beratan DN. Electron transfer in the photosynthetic reaction center: mechanistic implications of mutagenesis studies. Spectrochimica Acta. Part a, Molecular and Biomolecular Spectroscopy. 54: 1211-8. PMID 9734088 DOI: 10.1016/S1386-1425(98)00071-7 |
0.404 |
|
| 1998 |
Beratan D, Skourtis S. Electron transfer mechanisms. Current Opinion in Chemical Biology. 2: 235-43. PMID 9667934 DOI: 10.1016/S1367-5931(98)80065-3 |
0.48 |
|
| 1998 |
Kumar K, Kurnikov IV, Beratan DN, Waldeck DH, Zimmt MB. Use of modern electron transfer theories to determine electronic coupling matrix elements in intramolecular systems Journal of Physical Chemistry A. 102: 5529-5541. DOI: 10.1021/Jp980113T |
0.47 |
|
| 1998 |
Priyadarshy S, Risser SM, Beratan DN. DNA-mediated electron transfer Journal of Biological Inorganic Chemistry. 3: 196-200. DOI: 10.1007/S007750050221 |
0.449 |
|
| 1997 |
Kondru RK, Lim S, Wipf P, Beratan DN. Synthetic and model computational studies of molar rotation additivity for interacting chiral centers: a reinvestigation of van't Hoff's principle. Chirality. 9: 469-77. PMID 9329177 DOI: 10.1002/(Sici)1520-636X(1997)9:5/6<469::Aid-Chir13>3.0.Co;2-M |
0.319 |
|
| 1997 |
Beratan DN, Priyadarshy S, Risser SM. DNA: Insulator or wire? Chemistry & Biology. 4: 3-8. PMID 9070421 DOI: 10.1016/S1074-5521(97)90230-1 |
0.362 |
|
| 1997 |
Zusman LD, Beratan DN. Three-state model for two-electron transfer reactions Journal of Physical Chemistry A. 101: 4136-4141. DOI: 10.1021/Jp970123E |
0.453 |
|
| 1997 |
Wolfgang J, Risser SM, Priyadarshy S, Beratan DN. Secondary structure conformations and long range electronic interactions in oligopeptides Journal of Physical Chemistry B. 101: 2986-2991. DOI: 10.1021/Jp963771R |
0.45 |
|
| 1997 |
Skourtis SS, Beratan DN. Electron transfer contact maps Journal of Physical Chemistry B. 101: 1215-1234. DOI: 10.1021/Jp9619245 |
0.432 |
|
| 1997 |
Kurnikov IV, Zusman LD, Kurnikova MG, Farid RS, Beratan DN. Structural fluctuations, spin, reorganization energy, and tunneling energy control of intramolecular electron transfer: The surprising case of electron transfer in a d8-d8 bimetallic system Journal of the American Chemical Society. 119: 5690-5700. DOI: 10.1021/Ja970309R |
0.701 |
|
| 1997 |
Skourtis SS, Beratan DN. High and low resolution theories of protein electron transfer Journal of Biological Inorganic Chemistry. 2: 378-386. DOI: 10.1007/S007750050147 |
0.444 |
|
| 1996 |
Nocek JM, Zhou JS, De Forest S, Priyadarshy S, Beratan DN, Onuchic JN, Hoffman BM. Theory and Practice of Electron Transfer within Proteinminus signProtein Complexes: Application to the Multidomain Binding of Cytochrome c by Cytochrome c Peroxidase. Chemical Reviews. 96: 2459-2490. PMID 11848833 DOI: 10.1021/Cr9500444 |
0.521 |
|
| 1996 |
Kurnikov IV, Beratan DN. Ab initio based effective Hamiltonians for long-range electron transfer: Hartree-Fock analysis Journal of Chemical Physics. 105: 9561-9573. DOI: 10.1063/1.472788 |
0.443 |
|
| 1996 |
Zusman LD, Beratan DN. Two-electron transfer reactions in polar solvents Journal of Chemical Physics. 105: 165-176. DOI: 10.1063/1.471862 |
0.414 |
|
| 1996 |
Priyadarshy S, Skourtis SS, Risser SM, Beratan DN. Bridge-mediated electronic interactions: Differences between Hamiltonian and Green function partitioning in a non-orthogonal basis Journal of Chemical Physics. 104: 9473-9481. DOI: 10.1063/1.471690 |
0.322 |
|
| 1996 |
Priyadarshy S, Risser SM, Beratan DN. DNA is not a molecular wire: Protein-like electron-transfer predicted for an extended π-electron system Journal of Physical Chemistry. 100: 17678-17682. DOI: 10.1021/Jp961731H |
0.466 |
|
| 1996 |
Kuhn C, Beratan DN. Inverse strategies for molecular design Journal of Physical Chemistry. 100: 10595-10599. DOI: 10.1021/Jp960518I |
0.311 |
|
| 1996 |
Priyadarshy S, Therien MJ, Beratan DN. Acetylenyl-linked, porphyrin-bridged, donor-acceptor molecules: A theoretical analysis of the molecular first hyperpolarizability in highly conjugated push-pull chromophore structures Journal of the American Chemical Society. 118: 1504-1510. DOI: 10.1021/Ja952690Q |
0.399 |
|
| 1996 |
Skourtis SS, Onuchic JN, Beratan DN. A method to analyze multi-pathway effects on protein mediated donor-acceptor coupling interactions Inorganica Chimica Acta. 243: 167-175. DOI: 10.1016/0020-1693(96)04904-3 |
0.406 |
|
| 1996 |
Priyadarshy S, Beratan DN, Risser SM. DNA double-helix-mediated long-range electron transfer International Journal of Quantum Chemistry. 60: 1789-1795. DOI: 10.1002/(Sici)1097-461X(1996)60:8<1789::Aid-Qua6>3.0.Co;2-U |
0.49 |
|
| 1996 |
Nocek JM, Zhou JS, De Forest S, Priyadarshy S, Beratan DN, Onuchic JN, Huffman BM. Theory and practice of electron transfer within protein-protein complexes: Application to the multidomain binding of cytochrome c by cytochrome c peroxidase Chemical Reviews. 96: 2459-2489. |
0.46 |
|
| 1995 |
Curry WB, Grabe MD, Kurnikov IV, Skourtis SS, Beratan DN, Regan JJ, Aquino AJ, Beroza P, Onuchic JN. Pathways, pathway tubes, pathway docking, and propagators in electron transfer proteins. Journal of Bioenergetics and Biomembranes. 27: 285-93. PMID 8847342 DOI: 10.1007/Bf02110098 |
0.592 |
|
| 1995 |
Risser SM, Beratan DN. What is the anharmonicity of a molecule's electronic wave function? Journal of Physical Chemistry. 99: 1935-1942. DOI: 10.1021/J100007A024 |
0.317 |
|
| 1993 |
Waldeck DH, Beratan DN. Molecular electronics: observation of molecular rectification. Science (New York, N.Y.). 261: 576-7. PMID 17758166 DOI: 10.1126/Science.261.5121.576 |
0.374 |
|
| 1993 |
Risser SM, Beratan DN, Marder SR. Structure-function relationships for .beta., the first molecular hyperpolarizability Journal of the American Chemical Society. 115: 7719-7728. DOI: 10.1021/Ja00070A016 |
0.332 |
|
| 1993 |
Risser SM, Beratan DN, Meade TJ. Electron transfer in DNA: predictions of exponential growth and decay of coupling with donor-acceptor distance Journal of the American Chemical Society. 115: 2508-2510. DOI: 10.1021/Ja00059A057 |
0.488 |
|
| 1993 |
Regan JJ, Risser SM, Beratan DN, Onuchic JN. Protein electron transport: Single versus multiple pathways Journal of Physical Chemistry. 97: 13083-13088. DOI: 10.1021/J100152A009 |
0.581 |
|
| 1993 |
Risser SM, Beratan DN, Onuchic JN. Electronic coupling in starburst dendrimers: Connectivity, disorder, and finite size effects in macromolecular Bethe lattices Journal of Physical Chemistry. 97: 4523-4527. DOI: 10.1021/J100119A045 |
0.573 |
|
| 1993 |
Skourtis SS, Beratan DN, Onuchic JN. The two-state reduction for electron and hole transfer in bridge-mediated electron-transfer reactions Chemical Physics. 176: 501-520. DOI: 10.1016/0301-0104(93)80258-B |
0.344 |
|
| 1992 |
Beratan DN, Onuchic JN, Winkler JR, Gray HB. Electron-tunneling pathways in proteins. Science (New York, N.Y.). 258: 1740-1. PMID 1334572 DOI: 10.1126/Science.1334572 |
0.539 |
|
| 1992 |
Onuchic JN, Beratan DN, Winkler JR, Gray HB. Pathway analysis of protein electron-transfer reactions. Annual Review of Biophysics and Biomolecular Structure. 21: 349-77. PMID 1326356 DOI: 10.1146/Annurev.Bb.21.060192.002025 |
0.54 |
|
| 1992 |
Betts JN, Beratan DN, Onuchic JN. Mapping electron tunneling pathways: An algorithm that finds the "minimum lengths"/maximum coupling pathway between electron donors and acceptors in proteins Journal of the American Chemical Society. 114: 4043-4046. DOI: 10.1021/Ja00037A004 |
0.574 |
|
| 1992 |
Beratan DN, Betts JN, Onuchic JN. Tunneling pathway and redox-state-dependent electronic couplings at nearly fixed distance in electron-transfer proteins Journal of Physical Chemistry. 96: 2852-2855. DOI: 10.1021/J100186A014 |
0.624 |
|
| 1991 |
Marder SR, Beratan DN, Cheng LT. Approaches for optimizing the first electronic hyperpolarizability of conjugated organic molecules. Science (New York, N.Y.). 252: 103-6. PMID 17739081 DOI: 10.1126/Science.252.5002.103 |
0.361 |
|
| 1991 |
Beratan DN, Betts JN, Onuchic JN. Protein electron transfer rates set by the bridging secondary and tertiary structure. Science (New York, N.Y.). 252: 1285-8. PMID 1656523 DOI: 10.1126/Science.1656523 |
0.619 |
|
| 1991 |
Marder SR, Cheng LA, Tiemann BG, Beratan DN. Structure/property relationships for molecular second-order nonlinear optics Proceedings of Spie. 1560: 86-97. DOI: 10.1117/12.50708 |
0.426 |
|
| 1991 |
Onuchic JN, De Andrade PCP, Beratan DN. Electron tunneling pathways in proteins: A method to compute tunneling matrix elements in very large systems The Journal of Chemical Physics. 95: 1131-1138. DOI: 10.1063/1.461142 |
0.522 |
|
| 1990 |
Beratan DN. Controlled Electron Transfer for Molecular Electronics Molecular Crystals and Liquid Crystals Incorporating Nonlinear Optics. 190: 85-94. DOI: 10.1080/00268949008047835 |
0.478 |
|
| 1990 |
Onuchic JN, Beratan DN. A predictive theoretical model for electron tunneling pathways in proteins The Journal of Chemical Physics. 92: 722-733. DOI: 10.1063/1.458426 |
0.622 |
|
| 1990 |
Beratan DN, Onuchic JN, Betts JN, Bowler BE, Gray HB. Electron tunneling pathways in ruthenated proteins Journal of the American Chemical Society. 112: 7915-7921. DOI: 10.1021/Ja00178A011 |
0.614 |
|
| 1989 |
Beratan DN, Onuchic JN. Electron tunneling pathways in proteins: influences on the transfer rate. Photosynthesis Research. 22: 173-86. PMID 24424807 DOI: 10.1007/Bf00048296 |
0.615 |
|
| 1989 |
Hopfield JJ, Onuchic JN, Beratan DN. Electronic shift register memory based on molecular electron-transfer reactions Journal of Physical Chemistry. 93: 6350-6357. DOI: 10.1021/J100354A017 |
0.681 |
|
| 1989 |
Beratan DN. Influence of gap states on the nonresonant second hyperpolarizabilities of conjugated organic polymers The Journal of Physical Chemistry. 93: 3915-3920. DOI: 10.1021/J100347A012 |
0.361 |
|
| 1988 |
Hopfield JJ, Onuchic JN, Beratan DN. A molecular shift register based on electron transfer. Science (New York, N.Y.). 241: 817-20. PMID 17829175 DOI: 10.1126/science.241.4867.817 |
0.672 |
|
| 1988 |
Cowan JA, Upmacis RK, Beratan DN, Onuchic JN, Gray HB. Long-range electron transfer in myoglobin. Annals of the New York Academy of Sciences. 550: 68-84. PMID 3245652 DOI: 10.1111/J.1749-6632.1988.Tb35324.X |
0.609 |
|
| 1988 |
Beratan DN, Onuchic JN. Adiabaticlty and nonadiabaticity in bimolecular outer-sphere charge transfer reactions The Journal of Chemical Physics. 89: 6195-6203. DOI: 10.1063/1.455436 |
0.608 |
|
| 1988 |
Onuchic JN, Beratan DN. Adiabaticity criteria for outer-sphere bimolecular electron-transfer reactions Journal of Physical Chemistry. 92: 4817-4820. DOI: 10.1021/J100328A001 |
0.588 |
|
| 1987 |
Beratan DN, Onuchic JN, Hopfield JJ. Electron tunneling through covalent and noncovalent pathways in proteins The Journal of Chemical Physics. 86: 4488-4498. DOI: 10.1063/1.452723 |
0.681 |
|
| 1987 |
Onuchic JN, Beratan DN. Molecular bridge effects on distant charge tunneling Journal of the American Chemical Society. 109: 6771-6778. DOI: 10.1021/Ja00256A035 |
0.615 |
|
| 1987 |
Beratan DN, Onuchic JN, Perry JW. Nonlinear susceptibilities of finite conjugated organic polymers Journal of Physical Chemistry. 91: 2696-2698. DOI: 10.1021/J100295A009 |
0.552 |
|
| 1986 |
Beratan DN. Electron tunneling through rigid molecular bridges: Bicyclo[2.2.2]octane Journal of the American Chemical Society. 108: 4321-4326. DOI: 10.1021/Ja00275A014 |
0.425 |
|
| 1986 |
Onuchic JN, Beratan DN, Hopfield JJ. Some aspects of electron-transfer reaction dynamics Journal of Physical Chemistry. 90: 3707-3721. DOI: 10.1021/J100407A045 |
0.696 |
|
| 1985 |
Beratan DN, Onuchic JN, Hopfield JJ. Limiting forms of the tunneling matrix element in the long distance bridge mediated electron transfer problem The Journal of Chemical Physics. 83: 5325-5329. DOI: 10.1063/1.449694 |
0.692 |
|
| 1984 |
Beratan DN, Hopfield JJ. Failure of the Born-Oppenheimer and Franck-Condon approximations for long distance electron transfer rate calculations The Journal of Chemical Physics. 81: 5753-5759. DOI: 10.1063/1.447627 |
0.65 |
|
| 1984 |
Beratan DN, Hopfield JJ. Calculation of tunneling matrix elements in rigid systems: mixed-valence dithiaspirocyclobutane molecules Journal of the American Chemical Society. 106: 1584-1594. DOI: 10.1021/Ja00318A008 |
0.528 |
|
| 1982 |
Luken WL, Beratan DN. Localized orbitals and the Fermi hole Theoretica Chimica Acta. 61: 265-281. DOI: 10.1007/Bf00550971 |
0.35 |
|
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